Ab-initio molecular dynamics simulation of hydrogen diffusion in α\alpha-iron

First-principles atomistic molecular dynamics simulation in the micro-canonical and canonical ensembles has been used to study the diffusion of interstitial hydrogen in $\alpha$-iron. Hydrogen to Iron ratios between $\theta=1/16 and 1/2 have been considered by locating interstitial hydrogen atoms at random positions in a$2 \times 2 \times 2$ supercell. We find that the average optimum absorption site and the barrier for diffusion depend on the concentration of interestitials. Iron Debye temperature decreases monotonically for increasing concentration of interstitial hydrogen, proving that iron-iron interatomic potential is significantly weakened in the presence of a large number of diffusing hydrogen atoms

Desafios E Possibilidades Para A Profissionalização Da Pesquisa Científica Em Direito

The main objective of this paper is to present some considerations about scientific research in Law as a professional career. This paper departs from a historical rescue on the institutionalization of Bachelor of Law in Brazil, as well as postgraduate studies in this area, to reflect on the contradictions present in the field about the meanings of research in Law. Without forgetting the instrumental character of Law by maintaining and creating elites in Brazil, we present in the text strategies for permanence and maintenance in academic research as an option for professional practice in Law. In the final considerations, we register some questions for future reflections.Este artigo tem como objetivo central apresentar algumas considerações sobre a pesquisa científica na área do Direito enquanto carreira profissional. O artigo parte de um resgate histórico sobre a institucionalização do bacharelismo em Direito no país, bem como da pós-graduação nesta área, para refletir acerca das contradições presentes no campo sobre os sentidos da pesquisa em Direito. Sem se esquecer do caráter instrumental de manutenção e criação de elites do Brasil, apresentamos no texto estratégias de permanência e manutenção na pesquisa acadêmica enquanto opção de atuação profissional no Direito. Nas considerações finais, registramos algumas questões para futuras reflexões

Variability of boundary layer processes for the metropolitan area of São Paulo during winter

As variações espaciais e temporais da Camada Limite planetária (CLP) da Área Metropolitana da cidade de São Paulo (RMSP) durante o período de 23 de julho a 15 de Agosto de 1999 são estudas utilizando dados de um Sodar Doppler. RMSP (λ = 23º34’ S e φ = 46º44’ W) está numa altitude de 800 m acima do nível médio do mar, localizada 60 km à noroeste do oceano Atlântico, limitada por cadeias de montanhas ao norte, tendo uma orografia complexa e configura-se numa ilha de calor urbana.Este trabalho tem o objetivo de entender o impacto da urbanização sobre os processos de CLP particularmente durante a estação de inverno. Um número de diferentes tipos de experimentos estiveram em operação durante uma campanha de inverno organizada pelo IAG-USP. O Sodar Doppler fornece dados sobre (i) função estrutura de temperatura, CT2, (ii) velocidade do vento horizontal, u, (iii) velocidade do vento vertical, w, (iv) desvios padrão do vento horizontal e vertical, σu, σv e σw, e (v) altura da inversão de temperatura, Zi.A análise dos dados fornecidos pelo Sodar mostra claramente as variações desses parâmetros em alturas indo de 50 m até 1500 m com intervalos de 50 m num intervalo de tempo de 15 minutos. Existe grande variação desses parâmetros com a altura.O aumento noturno no campo do vento horizontal com a altura é bem marcado indicando a quase ausência de transporte vertical de momento horizontal durante a noite em condições estáveis. Durante as horas da manhã a aceleração na velocidade do vento é evidente. O aumento anormal em Zi durante a noite sob condições estáveis prevalece durante o inverno com valores mais altos em agosto do que em julho

Proximal hyperspectral sensing and data analysis approaches for field-based plant phenomics

Field-based plant phenomics requires robust crop sensing platforms and data analysis tools to successfully identify cultivars that exhibit phenotypes with high agronomic and economic importance. Such efforts will lead to genetic improvements that maintain high crop yield with concomitant tolerance to environmental stresses. The objectives of this study were to investigate proximal hyperspectral sensing with a field spectroradiometer and to compare data analysis approaches for estimating four cotton phenotypes: leaf water content (Cw), specific leaf mass (Cm), leaf chlorophyll a+b content (Cab), and leaf area index (LAI). Field studies tested 25 Pima cotton cultivars grown under well-watered and water-limited conditions in central Arizona from 2010 to 2012. Several vegetation indices, including the normalized difference vegetation index (NDVI), the normalized difference water index (NDWI), and the physiological (or photochemical) reflectance index (PRI) were compared with partial least squares regression (PLSR) approaches to estimate the four phenotypes. Additionally, inversion of the PROSAIL plant canopy reflectance model was investigated to estimate phenotypes based on 3.68 billion PROSAIL simulations on a supercomputer. Phenotypic estimates from each approach were compared with field measurements, and hierarchical linear mixed modeling was used to identify differences in the estimates among the cultivars and water levels. The PLSR approach performed best and estimated Cw,Cm,Cab, and LAI with root mean squared errors (RMSEs) between measured and modeled values of 6.8%, 10.9%, 13.1%, and 18.5%, respectively. Using linear regression with the vegetation indices, no index estimated Cw,Cm,Cab, and LAI with RMSEs better than 9.6%, 16.9%, 14.2%, and 28.8%, respectively. PROSAIL model inversion could estimate Cab and LAI with RMSEs of about 16% and 29%, depending on the objective function. However, the RMSEs for Cw and Cm from PROSAIL model inversion were greater than 30%. Compared to PLSR, advantages to the physically-based PROSAIL model include its ability to simulate the canopy's bidirectional reflectance distribution function (BRDF) and to estimate phenotypes from canopy spectral reflectance without a training data set. All proximal hyperspectral approaches were able to identify differences in phenotypic estimates among the cultivars and irrigation regimes tested during the field studies. Improvements to these proximal hyperspectral sensing approaches could be realized with a high-throughput phenotyping platform able to rapidly collect canopy spectral reflectance data from multiple view angles

Assessment of conjunctival, episcleral and scleral thickness in healthy individuals using anterior segment optical coherence tomography

Purpose: To determine the thickness of the conjunctiva, episclera and sclera in healthy individuals using anterior segment optical coherence tomography (AS-OCT).Methods: We prospectively included 107 healthy individuals of different age groups (18-39 years, 40-54 years, 55-69 years and >= 70 years). For each eye, AS-OCT scans of four quadrants (temporal, nasal, superior and inferior) were acquired. The thickness of the conjunctiva, episclera and sclera was measured for each scan. In addition, the axial length of both eyes was measured, and general characteristics, including smoking, allergies and contact lens use, were collected.Results: The mean conjunctival thickness was significantly different between the nasal and superior quadrants (87 +/- 30 mu m vs. 77 +/- 16 mu m; p < 0.001), as well as the superior and inferior quadrants (77 +/- 16 mu m vs. 86 +/- 19 mu m; p = 0.001). The mean episcleral thickness was larger in the superior (174 +/- 54 mu m) and inferior (141 +/- 43 mu m) quadrants, compared to the nasal (83 +/- 38 mu m) and temporal quadrants (90 +/- 44 mu m). The mean scleral thickness of the inferior quadrant was the largest (596 +/- 64 mu m), followed by the nasal (567 +/- 76 mu m), temporal (516 +/- 67 mu m) and superior (467 +/- 52 mu m) quadrants (all p < 0.001). The averaged scleral thickness increased 0.96 mu m per age year (0.41-1.47 mu m, p < 0.001).Conclusions: This study provides an assessment of the thickness of scleral and adjacent superficial layers in healthy individuals determined on AS-OCT, which could enable future research into the use of AS-OCT in diseases affecting the anterior eye wall

Assessment of conjunctival, episcleral and scleral thickness in healthy individuals using anterior segment optical coherence tomography

Purpose: To determine the thickness of the conjunctiva, episclera and sclera in healthy individuals using anterior segment optical coherence tomography (AS-OCT).Methods: We prospectively included 107 healthy individuals of different age groups (18-39 years, 40-54 years, 55-69 years and >= 70 years). For each eye, AS-OCT scans of four quadrants (temporal, nasal, superior and inferior) were acquired. The thickness of the conjunctiva, episclera and sclera was measured for each scan. In addition, the axial length of both eyes was measured, and general characteristics, including smoking, allergies and contact lens use, were collected.Results: The mean conjunctival thickness was significantly different between the nasal and superior quadrants (87 +/- 30 mu m vs. 77 +/- 16 mu m; p < 0.001), as well as the superior and inferior quadrants (77 +/- 16 mu m vs. 86 +/- 19 mu m; p = 0.001). The mean episcleral thickness was larger in the superior (174 +/- 54 mu m) and inferior (141 +/- 43 mu m) quadrants, compared to the nasal (83 +/- 38 mu m) and temporal quadrants (90 +/- 44 mu m). The mean scleral thickness of the inferior quadrant was the largest (596 +/- 64 mu m), followed by the nasal (567 +/- 76 mu m), temporal (516 +/- 67 mu m) and superior (467 +/- 52 mu m) quadrants (all p < 0.001). The averaged scleral thickness increased 0.96 mu m per age year (0.41-1.47 mu m, p < 0.001).Conclusions: This study provides an assessment of the thickness of scleral and adjacent superficial layers in healthy individuals determined on AS-OCT, which could enable future research into the use of AS-OCT in diseases affecting the anterior eye wall

Acute Putrescine Supplementation with Schwann Cell Implantation Improves Sensory and Serotonergic Axon Growth and Functional Recovery in Spinal Cord Injured Rats

Schwann cell (SC) transplantation exhibits significant potential for spinal cord injury (SCI) repair and its use as a therapeutic modality has now progressed to clinical trials for subacute and chronic human SCI. Although SC implants provide a receptive environment for axonal regrowth and support functional recovery in a number of experimental SCI models, axonal regeneration is largely limited to local systems and the behavioral improvements are modest without additional combinatory approaches. In the current study we investigated whether the concurrent delivery of the polyamine putrescine, started either 30 min or 1 week after SCI, could enhance the efficacy of SCs when implanted subacutely (1 week after injury) into the contused rat spinal cord. Polyamines are ubiquitous organic cations that play an important role in the regulation of the cell cycle, cell division, cytoskeletal organization, and cell differentiation. We show that the combination of putrescine with SCs provides a significant increase in implant size, an enhancement in axonal (sensory and serotonergic) sparing and/or growth, and improved open field locomotion after SCI, as compared to SC implantation alone. These findings demonstrate that polyamine supplementation can augment the effectiveness of SCs when used as a therapeutic approach for subacute SCI repair

The regulatory subunit of PKA-I remains partially structured and undergoes β-aggregation upon thermal denaturation

Background: The regulatory subunit (R) of cAMP-dependent protein kinase (PKA) is a modular flexible protein that responds with large conformational changes to the binding of the effector cAMP. Considering its highly dynamic nature, the protein is rather stable. We studied the thermal denaturation of full-length RIα and a truncated RIα(92-381) that contains the tandem cyclic nucleotide binding (CNB) domains A and B. Methodology/Principal Findings: As revealed by circular dichroism (CD) and differential scanning calorimetry, both RIα proteins contain significant residual structure in the heat-denatured state. As evidenced by CD, the predominantly α-helical spectrum at 25°C with double negative peaks at 209 and 222 nm changes to a spectrum with a single negative peak at 212-216 nm, characteristic of β-structure. A similar α→β transition occurs at higher temperature in the presence of cAMP. Thioflavin T fluorescence and atomic force microscopy studies support the notion that the structural transition is associated with cross-β-intermolecular aggregation and formation of non-fibrillar oligomers. Conclusions/Significance: Thermal denaturation of RIα leads to partial loss of native packing with exposure of aggregation-prone motifs, such as the B' helices in the phosphate-binding cassettes of both CNB domains. The topology of the β-sandwiches in these domains favors inter-molecular β-aggregation, which is suppressed in the ligand-bound states of RIα under physiological conditions. Moreover, our results reveal that the CNB domains persist as structural cores through heat-denaturation. © 2011 Dao et al

Long-term follow-up of certolizumab pegol in uveitis due to immune-mediated inflammatory diseases: multicentre study of 80 patients

ObjectivesTo evaluate effectiveness and safety of certolizumab pegol (CZP) in uveitis due to immune-mediated inflammatory diseases (IMID).MethodsMulticentre study of CZP-treated patients with IMID uveitis refractory to conventional immunosuppressant. Effectiveness was assessed through the following ocular parameters: best-corrected visual acuity, anterior chamber cells, vitritis, macular thickness and retinal vasculitis. These variables were compared between the baseline, and first week, first, third, sixth months, first and second year.ResultsWe studied 80 (33 men/47 women) patients (111 affected eyes) with a mean age of 41.6 +/- 11.7 years. The IMID included were: spondyloarthritis (n=43), Behcet's disease (n=10), psoriatic arthritis (n=8), Crohn's disease (n=4), sarcoidosis (n=2), juvenile idiopathic arthritis (n=1), reactive arthritis (n=1), rheumatoid arthritis (n=1), relapsing polychondritis (n=1),ConclusionsCZP seems to be effective and safe in uveitis related to different IMID, even in patients refractory to previous biological drugs